2-[2-(oxan-4-yl)phenoxy]ethanamine

C13H19NO2 — CID 115032722

IUPAC2-[2-(oxan-4-yl)phenoxy]ethanamine
SMILESNCCOc1ccccc1C1CCOCC1
InChIInChI=1S/C13H19NO2/c14-7-10-16-13-4-2-1-3-12(13)11-5-8-15-9-6-11/h1-4,11H,5-10,14H2
InChIKeyANQWQESXPLWYGT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.92
Rot. Bonds4

About 2-[2-(oxan-4-yl)phenoxy]ethanamine

2-[2-(oxan-4-yl)phenoxy]ethanamine (PubChem CID 115032722) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)phenoxy]ethanamine
PubChem CID115032722
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[2-(oxan-4-yl)phenoxy]ethanamine
SMILESNCCOc1ccccc1C1CCOCC1
InChIInChI=1S/C13H19NO2/c14-7-10-16-13-4-2-1-3-12(13)11-5-8-15-9-6-11/h1-4,11H,5-10,14H2
InChIKeyANQWQESXPLWYGT-UHFFFAOYSA-N
XLogP1.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)phenoxy]ethanamine?
The IUPAC name of 2-[2-(oxan-4-yl)phenoxy]ethanamine (CID 115032722) is 2-[2-(oxan-4-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[2-(oxan-4-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[2-(oxan-4-yl)phenoxy]ethanamine is NCCOc1ccccc1C1CCOCC1.
What is the InChIKey of 2-[2-(oxan-4-yl)phenoxy]ethanamine?
The InChIKey is ANQWQESXPLWYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-7-10-16-13-4-2-1-3-12(13)11-5-8-15-9-6-11/h1-4,11H,5-10,14H2.
What are the key properties of 2-[2-(oxan-4-yl)phenoxy]ethanamine?
2-[2-(oxan-4-yl)phenoxy]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)phenoxy]ethanamine is sourced from PubChem (CID 115032722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).